Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6178101

Cl.Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(N)cn3C)cn2C)cc1C(=O)NCCNC(=N)N

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 13/20 0.59
ESR2 known ✓ Q92731 13/20 0.59
TOP1 known ✓ P11387 2/20 0.59
HDAC1 known ✓ Q13547 1/20 0.37
HDAC2 known ✓ Q92769 1/20 0.37
HDAC8 known ✓ Q9BY41 1/20 0.37
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
HIF1A Q16665 1/20 0.61
HRAS P01112 14/20 0.59
PKM P14618 1/20 0.36
HPSE Q9Y251 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7531843 1.00 KDM4E (0.61) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL6775903 0.90 KDM4E (0.52) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL9124388 0.89 KDM4E (0.76) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL10688614 0.89 KDM4E (0.76) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL6548715 0.89 KDM4E (0.76) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL7539937 0.88 KDM4E (0.56) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL7533970 0.88 KDM4E (0.56) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL7510361 0.88 HRAS (0.76) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL7532883 0.87 KDM4E (0.55) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL6175427 0.87 KDM4E (0.62) KDM4EPOLBMAPTHIF1AHRAS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951951-B2 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2005-10-04 US disclosed
EP-1064281-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-25 EP disclosed
US-6753316-B1 3-ACRYLAMIDOPYRAZOLE-5-CARBOXAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 2004-06-22 US disclosed
US-20040082759-A1 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2004-04-29 US disclosed
US-20040029810-A1 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2004-02-12 US disclosed
EP-1311481-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES Pharmacia Italia S.p.A. (IT) 2003-05-21 EP disclosed
US-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. 2003-01-30 US disclosed
US-6482920-B1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA ITALIA, S.P.A. (IT) 2002-11-19 US disclosed
US-6458768-B1 ANTITUMOR AGENTS THAT CAN BE FORMULATED WITH A COMPOUND ALTERNATIVELY, CAN BE ADMINISTERED IN A MIXTURE OF DRUGS PHARMACIA & UPJOHN, S.P.A. (IT) 2002-10-01 US disclosed
WO-2002008184-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA S.P.A. (IT) 2002-01-31 WO disclosed
EP-0915845-B1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-09-12 EP disclosed
EP-0912509-B1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-07-11 EP disclosed
US-6177408-B1 COMPOUNDS SUCH AS 3-(1-METHYL-4(1-METHYL-4(1-METHYL-4(4-N,N-BIS(2 -CHLOROETHYL)AMINOCINNAMOYLAMIDO)PYRROLE-2-CARBOXAMIDO)PYRROLE-2 -CARBOXAMIDO)PYRROLE-2-CARBOXAMIDO)PROPIONAMIDINE PHARMACIA & UPJOHN S.P.A. (IT) 2001-01-23 US disclosed
US-6165980-A Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-12-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040029810-A1 Process for preparing distamycin derivatives RPN2, DHPS, MYD88 ESR1 3897/4885ESR2 3101/4885TOP1 168/4885
US-20040082759-A1 Process for preparing distamycin derivatives GSTP1, GSTA1, GSS ESR1 4086/4885ESR2 1721/4885TOP1 279/4885
US-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents EIF2AK2, ACR, EIF4A1 ESR1 3985/4885ESR2 3455/4885TOP1 225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.